Crystallography Open Database

Information card for entry 2225139

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Structure parameters

Chemical name	2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol
Formula	C10 H12 N2 O S
Calculated formula	C10 H12 N2 O S
SMILES	OCCn1c(SC)nc2c1cccc2
Title of publication	2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol
Authors of publication	Akonan, Ludovic; Molou, Kouassi Yves Guillaume; Adohi-Krou, Adjo; Abou, Akoun; Tenon, Abodou Jules
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	2
Pages of publication	o442
a	9.3235 ± 0.0002 Å
b	9.7659 ± 0.0002 Å
c	11.4588 ± 0.0003 Å
α	78.0849 ± 0.0009°
β	88.9066 ± 0.0008°
γ	88.1399 ± 0.0009°
Cell volume	1020.25 ± 0.04 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	0.9587
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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